| SpectraBase Spectrum ID |
4hhaPEX2f2Y |
| Name |
N,N'-bis-(2-Nitro-phenyl)-isophthalamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.091334181 u |
| Formula |
C20H14N4O6 |
| InChI |
InChI=1S/C20H14N4O6/c25-19(21-15-8-1-3-10-17(15)23(27)28)13-6-5-7-14(12-13)20(26)22-16-9-2-4-11-18(16)24(29)30/h1-12H,(H,21,25)(H,22,26) |
| InChIKey |
BUTKOAUHJAEECX-UHFFFAOYSA-N |
| Molecular Weight |
406.354 g/mol |
| SMILES |
C1=CC=C(N(=O)=O)C(NC(C2=CC(C(NC=3C(N(=O)=O)=CC=CC3)=O)=CC=C2)=O)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925239 |
